REMARK original generated coordinate pdb file
ATOM      1  CMT MTE     1       0.000   0.000   0.000  1.00  1.00      SOLU
ATOM      2  OH2 TIP3    1      -1.282 -15.251  11.192  1.00  0.00      SOLV
ATOM      3  H1  TIP3    1      -1.332 -16.051  10.669  1.00  0.00      SOLV
ATOM      4  H2  TIP3    1      -0.926 -14.595  10.592  1.00  0.00      SOLV


** sample containing information about the LJ solute and one of the water molecules **